CID 57697539

2h,3h,4h,5h-pyrido[4,3-f][1,4]oxazepine dihydrochloride

Structural Information

Molecular Formula
C8H10N2O
SMILES
C1COC2=C(CN1)C=CN=C2
InChI
InChI=1S/C8H10N2O/c1-2-9-6-8-7(1)5-10-3-4-11-8/h1-2,6,10H,3-5H2
InChIKey
QAJQDCAYPDQVRO-UHFFFAOYSA-N
Compound name
2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

150.07932 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 151.08660 125.6
[M+Na]+ 173.06854 131.2
[M-H]- 149.07204 127.4
[M+NH4]+ 168.11314 141.8
[M+K]+ 189.04248 133.4
[M+H-H2O]+ 133.07658 118.6
[M+HCOO]- 195.07752 142.3
[M+CH3COO]- 209.09317 137.5
[M+Na-2H]- 171.05399 135.5
[M]+ 150.07877 119.4
[M]- 150.07987 119.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe